About Crystallography Open Database
Search by compound or mineral name, exact formula or the elements present. Each hit gives the space group, unit cell, temperature, R factor, the publishing paper with DOI and a direct link to the CIF file. The open alternative to the CSD and ICSD.
Questions you can ask Crystallography Open Database
Type them into Kahubi’s chat once Crystallography Open Database is connected.
“Which crystal structures of paracetamol polymorphs are openly available, and in which space groups?”
What comes back: COD entries with space group, unit cell, temperature, the publishing paper and a CIF link.
“Find open crystal structures of perovskites containing lead, iodine and caesium.”
What comes back: Structures matched by elements, each with formula, space group, R factor, the paper’s DOI and a CIF download link.
Crystallography Open Database MCP tools
The 1 tool the Crystallography Open Database server offers to Kahubi. The assistant picks the right one for each question.
cod_searchSearch crystal structures by free text (compound, mineral, author, title), by exact formula, or by the elements present.
Using Crystallography Open Database in Kahubi
- Hosted by Kahubi. Kahubi runs this server itself so it stays reliable enough for research use.
- Cited, checkable answers. Results are treated as retrieved material and cited with the source’s own identifiers, so you can open every record the answer relied on.
- Your files stay private. Only the search the assistant writes for your question is sent to Crystallography Open Database.
More chemistry & materials sources
- PubChemCompound identity, properties, similarity and substructure search, GHS safety data, from 119M compounds.
- ChEMBL (bioactivity)Drug-like molecules with measured bioactivities, targets and mechanisms of action, curated by EMBL-EBI.
- ChEBI (chemical ontology)Curated dictionary of chemical entities: definitions, classes, roles and synonyms.
- OPSIN (name to structure)Turns a systematic IUPAC name into a structure by rule, also for compounds no database lists.
- Rhea (biochemical reactions)Expert-curated, balanced biochemical reactions linked to enzymes and ChEBI compounds.